| SpectraBase Compound ID | GtrRhTSKym4 |
|---|---|
| InChI | InChI=1S/C36H42N4O6/c1-23(2)32-30(38-34(42)29(40(4)5)22-26-12-8-6-9-13-26)36(44)39-31(33(45-24(3)41)27-14-10-7-11-15-27)35(43)37-21-20-25-16-18-28(46-32)19-17-25/h6-21,23,29-33H,22H2,1-5H3,(H,37,43)(H,38,42)(H,39,44)/b21-20- |
| InChIKey | RMVBDFYTZVIXPO-MRCUWXFGSA-N |
| Mol Weight | 626.8 g/mol |
| Molecular Formula | C36H42N4O6 |
| Exact Mass | 626.310435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Du41q5PCtVj |
|---|---|
| Name | Scutianine D acetate |
| CAS Registry Number | 53766-29-3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C36H42N4O6 |
| InChI | InChI=1S/C36H42N4O6/c1-23(2)32-30(38-34(42)29(40(4)5)22-26-12-8-6-9-13-26)36(44)39-31(33(45-24(3)41)27-14-10-7-11-15-27)35(43)37-21-20-25-16-18-28(46-32)19-17-25/h6-21,23,29-33H,22H2,1-5H3,(H,37,43)(H,38,42)(H,39,44)/b21-20- |
| InChIKey | RMVBDFYTZVIXPO-MRCUWXFGSA-N |
| Literature Reference | A.F. Morel, R.F. Bravo, Phytochem. 18, 473 (1979). |
| NMR Standard | CDCl3 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |